1,1,2,2-tetrafluoro-2-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)ethane-1-sulfonyl fluoride

• ChemBase ID: 6438
• Molecular Formular: C7F14O4S
• Molecular Mass: 446.1151448
• Monoisotopic Mass: 445.92937456
• SMILES: S(=O)(=O)(F)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F
• Canonical SMILES: FC(=C(F)F)OC(C(C(F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F)(F)F
• InChI: InChI=1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23
• InChIKey: KTCQQCLZUOZFEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrafluoro-2-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)ethane-1-sulfonyl fluoride
• IUPAC Traditional name: 1,1,2,2-tetrafluoro-2-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)ethanesulfonyl fluoride
• Synonyms: Perfluoro(4-methyl-3,6-dioxaoct-7-ene)-sulfonyl fluoride; 2-({1,1,1,2,3,3-Hexafluoro-3-[(trifluoroethenyl)oxy]prop-2-yl}oxy)-1,1,2,2-tetrafluoroethanesulphonyl fluoride; Perfluoro-3,6-dioxa-4-methyloct-7-enesulphonyl fluoride

Database IDs

• CAS Number: 16090-14-5
• MDL Number: MFCD00798138
• PubChem SID: 160969745
• PubChem CID: 85958

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.144165
• LogD (pH = 7.4): 5.144165
• Log P: 5.144165
• Molar Refractivity: 69.9184 cm^3
• Polarizability: 19.639154 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 135°C
• Flash Point: none°C
• Density: 1.7

Safety Information

• Storage Warning: Irritant; TOXIC
• TSCA Listed: true

Product Information

• Purity: 95%

DETAILS

Apollo Scientific Ltd - PC7831

Intermediate for incorporation of sulphonic acid groups into polymers.